39 results on '"Cronin, Mark"'
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2. Development of an Enhanced Mechanistically Driven Mode of Action Classification Scheme for Adverse Effects on Environmental Species
3. A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis
4. Exploring the Potential of ToxCast Data in Supporting Read-Across for Evaluation of Food Chemical Safety
5. Assessment and Reproducibility of Quantitative Structure–Activity Relationship Models by the Nonexpert
6. Validation of a Fragment-Based Profiler for Thiol Reactivity for the Prediction of Toxicity: Skin Sensitization and Tetrahymena pyriformis
7. Using Molecular Initiating Events to Develop a Structural Alert Based Screening Workflow for Nuclear Receptor Ligands Associated with Hepatic Steatosis
8. Development of a Fragment-Based in Silico Profiler for Michael Addition Thiol Reactivity
9. Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action
10. Using Molecular Initiating Events to Develop a Structural Alert Based Screening Workflow for Nuclear Receptor Ligands Associated with Hepatic Steatosis
11. Development of an in Silico Profiler for Mitochondrial Toxicity
12. Systems Biology Approach Reveals a Calcium-Dependent Mechanism for Basal Toxicity in Daphnia magna
13. Data Quality in the Human and Environmental Health Sciences: Using Statistical Confidence Scoring to Improve QSAR/QSPR Modeling
14. How Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts?
15. QSAR Modeling: Where Have You Been? Where Are You Going To?
16. Pragmatic Approaches to Using Computational Methods To Predict Xenobiotic Metabolism
17. Robustness of an Immobilized Artificial Membrane High-Performance Liquid Chromatography Method for the Determination of Lipophilicity
18. Novel N-Linked Aminopiperidine Inhibitors of Bacterial Topoisomerase Type II with Reduced pKa: Antibacterial Agents with an Improved Safety Profile
19. Novel N-Linked Aminopiperidine Inhibitors of Bacterial Topoisomerase Type II: Broad-Spectrum Antibacterial Agents with Reduced hERG Activity
20. Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology
21. Prediction of Michael-Type Acceptor Reactivity toward Glutathione
22. Electrophilic Reaction Chemistry of Low Molecular Weight Respiratory Sensitizers
23. Formation of Categories from Structure−Activity Relationships To Allow Read-Across for Risk Assessment: Toxicity of α,β-Unsaturated Carbonyl Compounds
24. Quantitative and Mechanistic Read Across for Predicting the Skin Sensitization Potential of Alkenes Acting via Michael Addition
25. Consensus QSAR Models: Do the Benefits Outweigh the Complexity?
26. Diagnostic Tools to Determine the Quality of “Transparent” Regression-Based QSARs: The “Modelling Power” Plot
27. Identification of the Structural Requirements of the Receptor-Binding Affinity of Diphenolic Azoles to Estrogen Receptors α and β by Three-Dimensional Quantitative Structure−Activity Relationship and Structure−Activity Relationship Analysis
28. Chemistry−Toxicity Relationships for the Effects of Di- and Trihydroxybenzenes to Tetrahymena pyriformis
29. Structure−Toxicity Relationships for the Effects to Tetrahymena pyriformis of Aliphatic, Carbonyl-Containing, α,β-Unsaturated Chemicals
30. From Experiment to Theory: Molecular Orbital Parameters to Interpret the Skin Sensitization Potential of 5-Chloro-2-methylisothiazol-3-one and 2-Methylisothiazol-3-one
31. Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs
32. Assessment and Modeling of the Toxicity of Organic Chemicals to Chlorella vulgaris: Development of a Novel Database
33. QSAR Analysis of the Toxicity of Aromatic Compounds to Chlorella vulgaris in a Novel Short-Term Assay
34. Molecular Quantum Similarity Analysis of Estrogenic Activity
35. Structure−Toxicity Relationships for Aliphatic Chemicals Evaluated with Tetrahymena pyriformis
36. Structure-Based Classification of Antibacterial Activity
37. Development of Quantitative Structure−Activity Relationships for the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: Comparative Assessment of the Methodologies
38. A Novel Index for the Description of Molecular Linearity
39. Response-Surface Analyses for Toxicity to Tetrahymena pyriformis: Reactive Carbonyl-Containing Aliphatic Chemicals
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